CID 523152

Diisocyanodiphenylmethane

Structural Information

Molecular Formula
C15H10N2
SMILES
[C-]#[N+]C1=CC=C(C=C1)CC2=CC=C(C=C2)[N+]#[C-]
InChI
InChI=1S/C15H10N2/c1-16-14-7-3-12(4-8-14)11-13-5-9-15(17-2)10-6-13/h3-10H,11H2
InChIKey
SYRYWPVKZTYAFV-UHFFFAOYSA-N
Compound name
1-isocyano-4-[(4-isocyanophenyl)methyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

152
Patents

218.0844 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.09168 178.3
[M+Na]+ 241.07362 187.7
[M-H]- 217.07712 180.7
[M+NH4]+ 236.11822 188.5
[M+K]+ 257.04756 173.7
[M+H-H2O]+ 201.08166 169.0
[M+HCOO]- 263.08260 189.0
[M+CH3COO]- 277.09825 208.8
[M+Na-2H]- 239.05907 179.9
[M]+ 218.08385 165.5
[M]- 218.08495 165.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe