CID 43380030

5-amino-2-(difluoromethoxy)benzoic acid hydrochloride

Structural Information

Molecular Formula
C8H7F2NO3
SMILES
C1=CC(=C(C=C1N)C(=O)O)OC(F)F
InChI
InChI=1S/C8H7F2NO3/c9-8(10)14-6-2-1-4(11)3-5(6)7(12)13/h1-3,8H,11H2,(H,12,13)
InChIKey
JPBZGWQIUHEIPX-UHFFFAOYSA-N
Compound name
5-amino-2-(difluoromethoxy)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.0394 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.046676 137.5
[M+Na]+ 226.028618 145.6
[M-H]- 202.032124 137.2
[M+NH4]+ 221.073223 155.3
[M+K]+ 242.002558 143.7
[M+H-H2O]+ 186.036660 130.0
[M+HCOO]- 248.037601 158.0
[M+CH3COO]- 262.053251 184.8
[M+Na-2H]- 224.014066 139.8
[M]+ 203.03885142 134.1
[M]- 203.03994858 134.1
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

No patent data available for this compound.