CID 12739

1,7-difluoroheptane

Structural Information

Molecular Formula
C7H14F2
SMILES
C(CCCF)CCCF
InChI
InChI=1S/C7H14F2/c8-6-4-2-1-3-5-7-9/h1-7H2
InChIKey
ZWXJTBZOZHXIAY-UHFFFAOYSA-N
Compound name
1,7-difluoroheptane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

136.10635 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.11363 128.0
[M+Na]+ 159.09557 134.8
[M-H]- 135.09907 125.3
[M+NH4]+ 154.14017 149.9
[M+K]+ 175.06951 133.7
[M+H-H2O]+ 119.10361 121.7
[M+HCOO]- 181.10455 149.3
[M+CH3COO]- 195.12020 176.0
[M+Na-2H]- 157.08102 133.5
[M]+ 136.10580 127.2
[M]- 136.10690 127.2
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