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

16
Patents

199.06447 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.07175 139.6
[M+Na]+ 222.05369 147.2
[M-H]- 198.05719 140.6
[M+NH4]+ 217.09829 157.7
[M+K]+ 238.02763 145.6
[M+H-H2O]+ 182.06173 133.0
[M+HCOO]- 244.06267 160.9
[M+CH3COO]- 258.07832 185.1
[M+Na-2H]- 220.03914 142.0
[M]+ 199.06392 137.8
[M]- 199.06502 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