CID 28603858

2-chloro-6-(cyclopropylmethoxy)benzaldehyde

Structural Information

Molecular Formula
C11H11ClO2
SMILES
C1CC1COC2=C(C(=CC=C2)Cl)C=O
InChI
InChI=1S/C11H11ClO2/c12-10-2-1-3-11(9(10)6-13)14-7-8-4-5-8/h1-3,6,8H,4-5,7H2
InChIKey
QQTMSBVBJPSRPA-UHFFFAOYSA-N
Compound name
2-chloro-6-(cyclopropylmethoxy)benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.04475 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.052026 140.1
[M+Na]+ 233.033968 151.1
[M-H]- 209.037474 147.8
[M+NH4]+ 228.078573 155.3
[M+K]+ 249.007908 146.5
[M+H-H2O]+ 193.042010 134.3
[M+HCOO]- 255.042951 160.6
[M+CH3COO]- 269.058601 188.2
[M+Na-2H]- 231.019416 146.0
[M]+ 210.04420142 146.5
[M]- 210.04529858 146.5
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

No patent data available for this compound.