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]+ 196.076826 134.1
[M+Na]+ 218.058768 143.5
[M-H]- 194.062274 139.6
[M+NH4]+ 213.103373 147.9
[M+K]+ 234.032708 139.6
[M+H-H2O]+ 178.066810 127.0
[M+HCOO]- 240.067751 157.0
[M+CH3COO]- 254.083401 187.3
[M+Na-2H]- 216.044216 139.3
[M]+ 195.06900142 134.3
[M]- 195.07009858 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