CID 71332255

2-iodo-3-methylbenzaldehyde

Structural Information

Molecular Formula
C8H7IO
SMILES
CC1=C(C(=CC=C1)C=O)I
InChI
InChI=1S/C8H7IO/c1-6-3-2-4-7(5-10)8(6)9/h2-5H,1H3
InChIKey
QPABLNRXTZXEIQ-UHFFFAOYSA-N
Compound name
2-iodo-3-methylbenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

54
Patents

245.95416 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.96144 134.8
[M+Na]+ 268.94338 141.2
[M+NH4]+ 263.98798 139.7
[M+K]+ 284.91732 137.6
[M-H]- 244.94688 131.2
[M+Na-2H]- 266.92883 129.8
[M]+ 245.95361 133.7
[M]- 245.95471 133.7
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