CID 12955924

7-chloro-1-heptene

Structural Information

Molecular Formula
C7H13Cl
SMILES
C=CCCCCCCl
InChI
InChI=1S/C7H13Cl/c1-2-3-4-5-6-7-8/h2H,1,3-7H2
InChIKey
HGFDRTHFFJPDNE-UHFFFAOYSA-N
Compound name
7-chlorohept-1-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

175
Patents

132.07057 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.07785 127.4
[M+Na]+ 155.05979 135.3
[M-H]- 131.06329 127.4
[M+NH4]+ 150.10439 150.4
[M+K]+ 171.03373 132.2
[M+H-H2O]+ 115.06783 124.0
[M+HCOO]- 177.06877 146.5
[M+CH3COO]- 191.08442 173.5
[M+Na-2H]- 153.04524 133.7
[M]+ 132.07002 130.1
[M]- 132.07112 130.1
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