CID 51063790

1215421-88-7

Structural Information

Molecular Formula
C8H7F2NO2
SMILES
CC1=CN=C(C=C1)C(C(=O)O)(F)F
InChI
InChI=1S/C8H7F2NO2/c1-5-2-3-6(11-4-5)8(9,10)7(12)13/h2-4H,1H3,(H,12,13)
InChIKey
UZLDROJWPGDBDP-UHFFFAOYSA-N
Compound name
2,2-difluoro-2-(5-methylpyridin-2-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

187.04448 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.05176 134.4
[M+Na]+ 210.03370 143.3
[M-H]- 186.03720 133.2
[M+NH4]+ 205.07830 152.2
[M+K]+ 226.00764 141.0
[M+H-H2O]+ 170.04174 127.0
[M+HCOO]- 232.04268 152.4
[M+CH3COO]- 246.05833 179.2
[M+Na-2H]- 208.01915 140.3
[M]+ 187.04393 131.7
[M]- 187.04503 131.7
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