CID 15957477

1h-carbazole-1-acetic acid, 5,7-difluoro-2,3,4,4a,9,9a-hexahydro-1-propyl-

Structural Information

Molecular Formula
C17H21F2NO2
SMILES
CCCC1(CCCC2C1NC3=C2C(=CC(=C3)F)F)CC(=O)O
InChI
InChI=1S/C17H21F2NO2/c1-2-5-17(9-14(21)22)6-3-4-11-15-12(19)7-10(18)8-13(15)20-16(11)17/h7-8,11,16,20H,2-6,9H2,1H3,(H,21,22)
InChIKey
QFAFPVQQINVLQZ-UHFFFAOYSA-N
Compound name
2-(5,7-difluoro-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

309.15402 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.16130 172.6
[M+Na]+ 332.14324 180.0
[M-H]- 308.14674 170.8
[M+NH4]+ 327.18784 190.8
[M+K]+ 348.11718 173.6
[M+H-H2O]+ 292.15128 164.9
[M+HCOO]- 354.15222 183.5
[M+CH3COO]- 368.16787 202.8
[M+Na-2H]- 330.12869 172.1
[M]+ 309.15347 167.3
[M]- 309.15457 167.3
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.