CID 99769749

2,2-difluorocycloheptan-1-one

Structural Information

Molecular Formula
C7H10F2O
SMILES
C1CCC(=O)C(CC1)(F)F
InChI
InChI=1S/C7H10F2O/c8-7(9)5-3-1-2-4-6(7)10/h1-5H2
InChIKey
IVYFAJDXXQIDPO-UHFFFAOYSA-N
Compound name
2,2-difluorocycloheptan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

148.06998 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.07726 118.6
[M+Na]+ 171.05920 123.8
[M-H]- 147.06270 120.6
[M+NH4]+ 166.10380 140.1
[M+K]+ 187.03314 126.3
[M+H-H2O]+ 131.06724 113.3
[M+HCOO]- 193.06818 137.1
[M+CH3COO]- 207.08383 176.0
[M+Na-2H]- 169.04465 124.3
[M]+ 148.06943 109.6
[M]- 148.07053 109.6
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