CID 21184133

(4,4-difluorocyclohexyl)methanol

Structural Information

Molecular Formula
C7H12F2O
SMILES
C1CC(CCC1CO)(F)F
InChI
InChI=1S/C7H12F2O/c8-7(9)3-1-6(5-10)2-4-7/h6,10H,1-5H2
InChIKey
XJZNZSLOHZLFQP-UHFFFAOYSA-N
Compound name
(4,4-difluorocyclohexyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

769
Patents

150.08562 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.09290 129.1
[M+Na]+ 173.07484 135.7
[M-H]- 149.07834 128.5
[M+NH4]+ 168.11944 151.6
[M+K]+ 189.04878 134.1
[M+H-H2O]+ 133.08288 123.3
[M+HCOO]- 195.08382 146.5
[M+CH3COO]- 209.09947 171.9
[M+Na-2H]- 171.06029 134.1
[M]+ 150.08507 121.8
[M]- 150.08617 121.8
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