CID 15957480

1h-carbazole-1-acetic acid, 6-bromo-8-chloro-2,3,4,4a,9,9a-hexahydro-1-propyl-

Structural Information

Molecular Formula
C17H21BrClNO2
SMILES
CCCC1(CCCC2C1NC3=C2C=C(C=C3Cl)Br)CC(=O)O
InChI
InChI=1S/C17H21BrClNO2/c1-2-5-17(9-14(21)22)6-3-4-11-12-7-10(18)8-13(19)15(12)20-16(11)17/h7-8,11,16,20H,2-6,9H2,1H3,(H,21,22)
InChIKey
PZTJSPYJKXJWCS-UHFFFAOYSA-N
Compound name
2-(6-bromo-8-chloro-1-propyl-2,3,4,4a,9,9a-hexahydrocarbazol-1-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

385.04443 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.05171 184.8
[M+Na]+ 408.03365 195.8
[M-H]- 384.03715 188.3
[M+NH4]+ 403.07825 204.7
[M+K]+ 424.00759 180.8
[M+H-H2O]+ 368.04169 186.0
[M+HCOO]- 430.04263 191.7
[M+CH3COO]- 444.05828 209.6
[M+Na-2H]- 406.01910 186.1
[M]+ 385.04388 202.5
[M]- 385.04498 202.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.