CID 5706481

(e)-hept-2-enoyl chloride

Structural Information

Molecular Formula
C7H11ClO
SMILES
CCCC/C=C/C(=O)Cl
InChI
InChI=1S/C7H11ClO/c1-2-3-4-5-6-7(8)9/h5-6H,2-4H2,1H3/b6-5+
InChIKey
REDBNPUNYZYECN-AATRIKPKSA-N
Compound name
(E)-hept-2-enoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

146.04984 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.05712 129.3
[M+Na]+ 169.03906 137.4
[M-H]- 145.04256 129.5
[M+NH4]+ 164.08366 151.7
[M+K]+ 185.01300 134.4
[M+H-H2O]+ 129.04710 126.0
[M+HCOO]- 191.04804 148.0
[M+CH3COO]- 205.06369 174.5
[M+Na-2H]- 167.02451 134.3
[M]+ 146.04929 132.1
[M]- 146.05039 132.1
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