CID 11229760

103577-66-8

Structural Information

Molecular Formula
C9H10F3NO2
SMILES
CC1=C(C=CN=C1CO)OCC(F)(F)F
InChI
InChI=1S/C9H10F3NO2/c1-6-7(4-14)13-3-2-8(6)15-5-9(10,11)12/h2-3,14H,4-5H2,1H3
InChIKey
GNILTGRCVCMPFJ-UHFFFAOYSA-N
Compound name
[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

85
Patents

221.06636 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.073636 143.4
[M+Na]+ 244.055578 152.8
[M-H]- 220.059084 140.9
[M+NH4]+ 239.100183 160.2
[M+K]+ 260.029518 150.0
[M+H-H2O]+ 204.063620 134.8
[M+HCOO]- 266.064561 160.8
[M+CH3COO]- 280.080211 185.6
[M+Na-2H]- 242.041026 148.6
[M]+ 221.06581142 141.4
[M]- 221.06690858 141.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe