CID 16793896

2-(3-bromo-2-methyl-1h-indol-1-yl)acetic acid

Structural Information

Molecular Formula
C11H10BrNO2
SMILES
CC1=C(C2=CC=CC=C2N1CC(=O)O)Br
InChI
InChI=1S/C11H10BrNO2/c1-7-11(12)8-4-2-3-5-9(8)13(7)6-10(14)15/h2-5H,6H2,1H3,(H,14,15)
InChIKey
JNJPGTYCGBTATE-UHFFFAOYSA-N
Compound name
2-(3-bromo-2-methylindol-1-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

266.9895 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.99678 150.5
[M+Na]+ 289.97872 164.4
[M-H]- 265.98222 156.2
[M+NH4]+ 285.02332 172.1
[M+K]+ 305.95266 152.8
[M+H-H2O]+ 249.98676 150.8
[M+HCOO]- 311.98770 170.8
[M+CH3COO]- 326.00335 191.9
[M+Na-2H]- 287.96417 156.3
[M]+ 266.98895 171.8
[M]- 266.99005 171.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe