CID 13379938

78376-92-8

Structural Information

Molecular Formula
C5H7F3O
SMILES
C1[C@H]([C@@H]1C(F)(F)F)CO
InChI
InChI=1S/C5H7F3O/c6-5(7,8)4-1-3(4)2-9/h3-4,9H,1-2H2/t3-,4+/m0/s1
InChIKey
YZAYHNYHJCPNAR-IUYQGCFVSA-N
Compound name
[(1R,2R)-2-(trifluoromethyl)cyclopropyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

140.0449 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.05218 118.2
[M+Na]+ 163.03412 128.5
[M-H]- 139.03762 118.2
[M+NH4]+ 158.07872 134.6
[M+K]+ 179.00806 125.9
[M+H-H2O]+ 123.04216 111.0
[M+HCOO]- 185.04310 136.8
[M+CH3COO]- 199.05875 174.7
[M+Na-2H]- 161.01957 124.5
[M]+ 140.04435 116.1
[M]- 140.04545 116.1
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