CID 15709643

1-cyclopropyl-2,2,2-trifluoroethan-1-ol

Structural Information

Molecular Formula
C5H7F3O
SMILES
C1CC1C(C(F)(F)F)O
InChI
InChI=1S/C5H7F3O/c6-5(7,8)4(9)3-1-2-3/h3-4,9H,1-2H2
InChIKey
PQHMFPNCDSFTAV-UHFFFAOYSA-N
Compound name
1-cyclopropyl-2,2,2-trifluoroethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

57
Patents

140.0449 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.05218 118.0
[M+Na]+ 163.03412 127.2
[M-H]- 139.03762 117.8
[M+NH4]+ 158.07872 134.1
[M+K]+ 179.00806 125.1
[M+H-H2O]+ 123.04216 110.6
[M+HCOO]- 185.04310 135.8
[M+CH3COO]- 199.05875 174.4
[M+Na-2H]- 161.01957 123.8
[M]+ 140.04435 115.0
[M]- 140.04545 115.0
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