CID 3929110

299166-66-8

Structural Information

Molecular Formula
C9H10FNO3
SMILES
COC1=C(C=C(C=C1)C(C(=O)O)N)F
InChI
InChI=1S/C9H10FNO3/c1-14-7-3-2-5(4-6(7)10)8(11)9(12)13/h2-4,8H,11H2,1H3,(H,12,13)
InChIKey
BPKLMQYFJHGPQW-UHFFFAOYSA-N
Compound name
2-amino-2-(3-fluoro-4-methoxyphenyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

199.06447 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.071746 139.6
[M+Na]+ 222.053688 147.2
[M-H]- 198.057194 140.6
[M+NH4]+ 217.098293 157.7
[M+K]+ 238.027628 145.6
[M+H-H2O]+ 182.061730 133.0
[M+HCOO]- 244.062671 160.9
[M+CH3COO]- 258.078321 185.1
[M+Na-2H]- 220.039136 142.0
[M]+ 199.06392142 137.8
[M]- 199.06501858 137.8
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