CID 88234

3-[bis(2-chloroethyl)amino]-4-methylbenzaldehyde

Structural Information

Molecular Formula
C12H15Cl2NO
SMILES
CC1=C(C=C(C=C1)C=O)N(CCCl)CCCl
InChI
InChI=1S/C12H15Cl2NO/c1-10-2-3-11(9-16)8-12(10)15(6-4-13)7-5-14/h2-3,8-9H,4-7H2,1H3
InChIKey
DEOICCGWRFAQNC-UHFFFAOYSA-N
Compound name
3-[bis(2-chloroethyl)amino]-4-methylbenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.05307 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.06035 155.1
[M+Na]+ 282.04229 169.0
[M+NH4]+ 277.08689 164.0
[M+K]+ 298.01623 160.4
[M-H]- 258.04579 158.1
[M+Na-2H]- 280.02774 162.0
[M]+ 259.05252 158.6
[M]- 259.05362 158.6
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.