CID 15885809

6-amino-3-bromo-2-methylbenzoic acid hydrochloride

Structural Information

Molecular Formula
C8H8BrNO2
SMILES
CC1=C(C=CC(=C1C(=O)O)N)Br
InChI
InChI=1S/C8H8BrNO2/c1-4-5(9)2-3-6(10)7(4)8(11)12/h2-3H,10H2,1H3,(H,11,12)
InChIKey
DWECHCGAIYTKSL-UHFFFAOYSA-N
Compound name
6-amino-3-bromo-2-methylbenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
Patents

228.97385 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.98113 139.5
[M+Na]+ 251.96307 151.4
[M-H]- 227.96657 144.7
[M+NH4]+ 247.00767 160.3
[M+K]+ 267.93701 139.9
[M+H-H2O]+ 211.97111 139.3
[M+HCOO]- 273.97205 160.1
[M+CH3COO]- 287.98770 187.7
[M+Na-2H]- 249.94852 144.4
[M]+ 228.97330 156.4
[M]- 228.97440 156.4
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