CID 62649473

2-(cyclopropylamino)-3-fluorobenzoic acid

Structural Information

Molecular Formula
C10H10FNO2
SMILES
C1CC1NC2=C(C=CC=C2F)C(=O)O
InChI
InChI=1S/C10H10FNO2/c11-8-3-1-2-7(10(13)14)9(8)12-6-4-5-6/h1-3,6,12H,4-5H2,(H,13,14)
InChIKey
GVGJJOXOPUCSPJ-UHFFFAOYSA-N
Compound name
2-(cyclopropylamino)-3-fluorobenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.06955 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.07683 134.1
[M+Na]+ 218.05877 143.5
[M-H]- 194.06227 139.6
[M+NH4]+ 213.10337 147.9
[M+K]+ 234.03271 139.6
[M+H-H2O]+ 178.06681 127.0
[M+HCOO]- 240.06775 157.0
[M+CH3COO]- 254.08340 187.3
[M+Na-2H]- 216.04422 139.3
[M]+ 195.06900 134.3
[M]- 195.07010 134.3
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